1-[2,5-bis(chloranyl)phenyl]-5-ethyl-3-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-5-ethyl-3-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2,5-dichlorophenyl)-5-ethyl-3-isobutyl-pyrazole-4-carboxylic acid CAS Name: 1-(2,5-dichlorophenyl)-5-ethyl-3-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,5-dichlorophenyl)-5-ethyl-3-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2,5-dichlorophenyl)-5-ethyl-3-isobutyl-pyrazole-4-carboxylic acid Formula: C16H18Cl2N2O2 MolecularWeight: 341.23232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=C(C=CC(=C2)Cl)Cl)CC(C)C)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=C(C=CC(=C2)Cl)Cl)CC(C)C)C(=O)O

InChI

InChI=1S/C16H18Cl2N2O2/c1-4-13-15(16(21)22)12(7-9(2)3)19-20(13)14-8-10(17)5-6-11(14)18/h5-6,8-9H,4,7H2,1-3H3,(H,21,22)